3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide

C17H17ClN2O2 — CID 54780710

IUPAC3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-19-16(21)10-7-12-5-8-15(9-6-12)20-17(22)13-3-2-4-14(18)11-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCMVVNKWRBRXBCI-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.27
Rot. Bonds5

About 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide

3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide (PubChem CID 54780710) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
PubChem CID54780710
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-19-16(21)10-7-12-5-8-15(9-6-12)20-17(22)13-3-2-4-14(18)11-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCMVVNKWRBRXBCI-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
CID 110314357
3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
CID 54780838
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
3-chloro-N-[3-[(Z)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]benzamide
CID 126147743
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
CID 19169303
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
CID 54780630
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780837

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide (CID 54780710) is 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide is CNC(=O)CCc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The InChIKey is CMVVNKWRBRXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-19-16(21)10-7-12-5-8-15(9-6-12)20-17(22)13-3-2-4-14(18)11-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide is sourced from PubChem (CID 54780710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).